N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]-2-(3-oxidanylpropyl)-1H-benzimidazole-4-carboxamide

Systemtic Name: N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]-2-(3-oxidanylpropyl)-1H-benzimidazole-4-carboxamide Openeye Name: 2-(3-hydroxypropyl)-N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]carbamoyl]phenyl]-1H-benzimidazole-4-carboxamide CAS Name: N-[4-[[N,4-dimethyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]anilino]-oxomethyl]-2-methoxyphenyl]-2-(3-hydroxypropyl)-1H-benzimidazole-4-carboxamide IUPAC Name: 2-(3-hydroxypropyl)-N-[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-(3-hydroxypropyl)-N-[4-[[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]-1H-benzimidazole-4-carboxamide Formula: C38H48N6O6 MolecularWeight: 684.82432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=C4C(=CC=C3)NC(=N4)CCCO)OC)OCCCCCC(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=O)C3=C4C(=CC=C3)NC(=N4)CCCO)OC)OCCCCCC(=O)N5CCN(CC5)C

InChI

InChI=1S/C38H48N6O6/c1-26-14-17-31(33(24-26)50-23-7-5-6-13-35(46)44-20-18-42(2)19-21-44)43(3)38(48)27-15-16-29(32(25-27)49-4)40-37(47)28-10-8-11-30-36(28)41-34(39-30)12-9-22-45/h8,10-11,14-17,24-25,45H,5-7,9,12-13,18-23H2,1-4H3,(H,39,41)(H,40,47)